N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine

C16H23N3O — CID 10540215

IUPACN',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)11-10-18-15-8-9-17-16-12-13(20-3)6-7-14(15)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGLZUWXVIBLTTAS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.00
Rot. Bonds7

About N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine (PubChem CID 10540215) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine
PubChem CID10540215
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)11-10-18-15-8-9-17-16-12-13(20-3)6-7-14(15)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGLZUWXVIBLTTAS-UHFFFAOYSA-N
XLogP3.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Primaquine
CID 4908
Harmine
CID 5280953
Sitamaquine
CID 42548
Quinocide
CID 68928
Harmine Hydrochloride
CID 5359389
(+)-Primaquine
CID 3044369
7-Methoxyquinazoline
CID 12213273
6-Methoxy-8-quinolinamine
CID 7023
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine (CID 10540215) is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1ccnc2cc(OC)ccc12.
What is the InChIKey of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is GLZUWXVIBLTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(5-2)11-10-18-15-8-9-17-16-12-13(20-3)6-7-14(15)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 10540215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).